N-methyl-6-(4-propylpiperazin-4-ium-1-yl)-N-(quinolin-2-ylmethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: N-methyl-6-(4-propylpiperazin-4-ium-1-yl)-N-(quinolin-2-ylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: N-methyl-6-(4-propylpiperazin-4-ium-1-yl)-N-(2-quinolylmethyl)pyridin-1-ium-3-carboxamide CAS Name: N-methyl-6-(4-propyl-1-piperazin-4-iumyl)-N-(2-quinolinylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-methyl-6-(4-propylpiperazin-4-ium-1-yl)-N-(quinolin-2-ylmethyl)pyridin-1-ium-3-carboxamide Traditional Name: N-methyl-6-(4-propylpiperazin-4-ium-1-yl)-N-(2-quinolylmethyl)pyridin-1-ium-3-carboxamide Formula: C24H31N5O+2 MolecularWeight: 405.53584

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)C(=O)N(C)CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCC[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)C(=O)N(C)CC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H29N5O/c1-3-12-28-13-15-29(16-14-28)23-11-9-20(17-25-23)24(30)27(2)18-21-10-8-19-6-4-5-7-22(19)26-21/h4-11,17H,3,12-16,18H2,1-2H3/p+2