(2R)-N-(cyclohexylmethyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(cyclohexylmethyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(cyclohexylmethyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(cyclohexylmethyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(cyclohexylmethyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(cyclohexylmethyl)-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:

CC(C(=O)NCC1CCCCC1)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H](C(=O)NCC1CCCCC1)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H30N4O/c1-16(19(24)21-15-17-7-3-2-4-8-17)22-11-13-23(14-12-22)18-9-5-6-10-20-18/h5-6,9-10,16-17H,2-4,7-8,11-15H2,1H3,(H,21,24)/p+2/t16-/m1/s1