(2R)-N-[(2-methoxyphenyl)methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

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

CC(C(=O)NCC1=CC=CC=C1OC)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1OC)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H26N4O2/c1-16(20(25)22-15-17-7-3-4-8-18(17)26-2)23-11-13-24(14-12-23)19-9-5-6-10-21-19/h3-10,16H,11-15H2,1-2H3,(H,22,25)/p+2/t16-/m1/s1