[4-oxidanylidene-4-[[6-[(phenylmethyl)-propan-2-yl-amino]pyridin-3-yl]amino]butyl]azanium

Systemtic Name: [4-oxidanylidene-4-[[6-[(phenylmethyl)-propan-2-yl-amino]pyridin-3-yl]amino]butyl]azanium Openeye Name: [4-[[6-[benzyl(isopropyl)amino]-3-pyridyl]amino]-4-oxo-butyl]ammonium CAS Name: [4-oxo-4-[[6-[(phenylmethyl)-propan-2-ylamino]-3-pyridinyl]amino]butyl]ammonium IUPAC Name: [4-[[6-[benzyl(propan-2-yl)amino]pyridin-3-yl]amino]-4-oxobutyl]azanium Traditional Name: [4-[[6-[benzyl(isopropyl)amino]-3-pyridyl]amino]-4-keto-butyl]ammonium Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C2=NC=C(C=C2)NC(=O)CCC[NH3+]

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C2=NC=C(C=C2)NC(=O)CCC[NH3+]

InChI

InChI=1S/C19H26N4O/c1-15(2)23(14-16-7-4-3-5-8-16)18-11-10-17(13-21-18)22-19(24)9-6-12-20/h3-5,7-8,10-11,13,15H,6,9,12,14,20H2,1-2H3,(H,22,24)/p+1