cyclohexyl-[(cyclohexylamino)-[[(2R)-1-(isoquinolin-8-ylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]amino]methylidene]azanium

Systemtic Name: cyclohexyl-[(cyclohexylamino)-[[(2R)-1-(isoquinolin-8-ylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]amino]methylidene]azanium Openeye Name: cyclohexyl-[(cyclohexylamino)-[[(1R)-2-(8-isoquinolylamino)-1-(2-naphthylmethyl)-2-oxo-ethyl]amino]methylene]ammonium CAS Name: cyclohexyl-[(cyclohexylamino)-[[(2R)-1-(8-isoquinolinylamino)-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]methylidene]ammonium IUPAC Name: cyclohexyl-[(cyclohexylamino)-[[(2R)-1-(isoquinolin-8-ylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]methylidene]azanium Traditional Name: cyclohexyl-[(cyclohexylamino)-[[(1R)-2-(8-isoquinolylamino)-2-keto-1-(2-naphthylmethyl)ethyl]amino]methylene]ammonium Formula: C35H42N5O+ MolecularWeight: 548.74088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=[NH+]C2CCCCC2)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NC5=CC=CC6=C5C=NC=C6

Isomeric SMILES

C1CCC(CC1)NC(=[NH+]C2CCCCC2)N[C@H](CC3=CC4=CC=CC=C4C=C3)C(=O)NC5=CC=CC6=C5C=NC=C6

InChI

InChI=1S/C35H41N5O/c41-34(39-32-17-9-12-27-20-21-36-24-31(27)32)33(23-25-18-19-26-10-7-8-11-28(26)22-25)40-35(37-29-13-3-1-4-14-29)38-30-15-5-2-6-16-30/h7-12,17-22,24,29-30,33H,1-6,13-16,23H2,(H,39,41)(H2,37,38,40)/p+1/t33-/m1/s1