(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-propanamide CAS Name: (2S)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-N-methyl-N-(phenylmethyl)propanamide IUPAC Name: (2S)-N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide Traditional Name: (2S)-N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-propionamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2/c1-18(22(26)23(2)17-19-7-5-4-6-8-19)24-13-15-25(16-14-24)20-9-11-21(27-3)12-10-20/h4-12,18H,13-17H2,1-3H3/p+1/t18-/m0/s1