N-[(2R)-4-phenylbutan-2-yl]-4-(phenylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(2R)-4-phenylbutan-2-yl]-4-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-benzyl-N-[(1R)-1-methyl-3-phenyl-propyl]piperazin-4-ium-1-carboxamide CAS Name: N-[(2R)-4-phenylbutan-2-yl]-4-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzyl-N-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium-1-carboxamide Traditional Name: 4-benzyl-N-[(1R)-1-methyl-3-phenyl-propyl]piperazin-4-ium-1-carboxamide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O/c1-19(12-13-20-8-4-2-5-9-20)23-22(26)25-16-14-24(15-17-25)18-21-10-6-3-7-11-21/h2-11,19H,12-18H2,1H3,(H,23,26)/p+1/t19-/m1/s1