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

Systemtic Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C20H28N4O2+2 MolecularWeight: 356.46192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H26N4O2/c1-15-7-8-18(26-3)17(14-15)22-20(25)16(2)23-10-12-24(13-11-23)19-6-4-5-9-21-19/h4-9,14,16H,10-13H2,1-3H3,(H,22,25)/p+2/t16-/m0/s1