(2S)-N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide

Systemtic Name: (2S)-N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: (2S)-N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide CAS Name: (2S)-N-ethyl-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-N-phenylpropanamide IUPAC Name: (2S)-N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-phenylpropanamide Traditional Name: (2S)-N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-phenyl-propionamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2/c1-4-25(19-9-6-5-7-10-19)22(26)18(2)23-13-15-24(16-14-23)20-11-8-12-21(17-20)27-3/h5-12,17-18H,4,13-16H2,1-3H3/p+1/t18-/m0/s1