5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(Z)-1-phenylpentylideneamino]pyridin-2-amine

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(Z)-1-phenylpentylideneamino]pyridin-2-amine Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(Z)-1-phenylpentylideneamino]pyridin-2-amine CAS Name: 5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-[(Z)-1-phenylpentylideneamino]-2-pyridinamine IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(Z)-1-phenylpentylideneamino]pyridin-2-amine Traditional Name: [5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]-[(Z)-1-phenylpentylideneamino]amine Formula: C21H30N5O2S+ MolecularWeight: 416.5602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=NNC1=NC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)C3=CC=CC=C3

Isomeric SMILES

CCCC/C(=N/NC1=NC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)/C3=CC=CC=C3

InChI

InChI=1S/C21H29N5O2S/c1-3-4-10-20(18-8-6-5-7-9-18)23-24-21-12-11-19(17-22-21)29(27,28)26-15-13-25(2)14-16-26/h5-9,11-12,17H,3-4,10,13-16H2,1-2H3,(H,22,24)/p+1/b23-20-