(2S)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide Openeye Name: (2S)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-[4-(1-piperidyl)phenyl]propanamide CAS Name: (2S)-2-[4-(2-phenoxyethyl)-1-piperazin-1-iumyl]-N-[4-(1-piperidinyl)phenyl]propanamide IUPAC Name: (2S)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide Traditional Name: (2S)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-(4-piperidinophenyl)propionamide Formula: C26H37N4O2+ MolecularWeight: 437.59758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)[NH+]3CCN(CC3)CCOC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)[NH+]3CCN(CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C26H36N4O2/c1-22(26(31)27-23-10-12-24(13-11-23)30-14-6-3-7-15-30)29-18-16-28(17-19-29)20-21-32-25-8-4-2-5-9-25/h2,4-5,8-13,22H,3,6-7,14-21H2,1H3,(H,27,31)/p+1/t22-/m0/s1