(2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C19H32N4O+2 MolecularWeight: 332.48358

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H30N4O/c1-15-7-3-4-8-17(15)21-19(24)16(2)22-11-13-23(14-12-22)18-9-5-6-10-20-18/h5-6,9-10,15-17H,3-4,7-8,11-14H2,1-2H3,(H,21,24)/p+2/t15-,16-,17+/m1/s1