(2S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C20H27ClN4O2+2 MolecularWeight: 390.90698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H25ClN4O2/c1-14-12-17(18(27-3)13-16(14)21)23-20(26)15(2)24-8-10-25(11-9-24)19-6-4-5-7-22-19/h4-7,12-13,15H,8-11H2,1-3H3,(H,23,26)/p+2/t15-/m0/s1