cyclohexyl-[(cyclohexylamino)-[[(2S)-1-(4-methylpiperazin-1-yl)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]amino]methylidene]azanium

Systemtic Name: cyclohexyl-[(cyclohexylamino)-[[(2S)-1-(4-methylpiperazin-1-yl)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]amino]methylidene]azanium Openeye Name: cyclohexyl-[(cyclohexylamino)-[[(1S)-2-(4-methylpiperazin-1-yl)-1-(2-naphthylmethyl)-2-oxo-ethyl]amino]methylene]ammonium CAS Name: cyclohexyl-[(cyclohexylamino)-[[(2S)-1-(4-methyl-1-piperazinyl)-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]methylidene]ammonium IUPAC Name: cyclohexyl-[(cyclohexylamino)-[[(2S)-1-(4-methylpiperazin-1-yl)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]methylidene]azanium Traditional Name: cyclohexyl-[(cyclohexylamino)-[[(1S)-2-keto-2-(4-methylpiperazino)-1-(2-naphthylmethyl)ethyl]amino]methylene]ammonium Formula: C31H46N5O+ MolecularWeight: 504.72984

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=[NH+]C4CCCCC4)NC5CCCCC5

Isomeric SMILES

CN1CCN(CC1)C(=O)[C@H](CC2=CC3=CC=CC=C3C=C2)NC(=[NH+]C4CCCCC4)NC5CCCCC5

InChI

InChI=1S/C31H45N5O/c1-35-18-20-36(21-19-35)30(37)29(23-24-16-17-25-10-8-9-11-26(25)22-24)34-31(32-27-12-4-2-5-13-27)33-28-14-6-3-7-15-28/h8-11,16-17,22,27-29H,2-7,12-15,18-21,23H2,1H3,(H2,32,33,34)/p+1/t29-/m0/s1