N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-4-propan-2-yl-benzamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-4-isopropyl-benzamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-4-propan-2-ylbenzamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-4-propan-2-ylbenzamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-4-isopropyl-benzamide Formula: C27H32N3O+ MolecularWeight: 414.56248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O/c1-21(2)23-8-10-24(11-9-23)27(31)28-25-12-14-26(15-13-25)30-18-16-29(17-19-30)20-22-6-4-3-5-7-22/h3-15,21H,16-20H2,1-2H3,(H,28,31)/p+1