N-[(1S)-1-phenylethyl]-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propanamide

Systemtic Name: N-[(1S)-1-phenylethyl]-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propanamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)-N-[(1S)-1-phenylethyl]propanamide CAS Name: N-[(1S)-1-phenylethyl]-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propanamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)-N-[(1S)-1-phenylethyl]propanamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)-N-[(1S)-1-phenylethyl]propionamide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CCN2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)CCN2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O/c1-19(21-10-6-3-7-11-21)23-22(26)12-13-24-14-16-25(17-15-24)18-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3,(H,23,26)/p+1/t19-/m0/s1