(2-aminocarbonylphenyl)-methyl-(phenylmethyl)-[2-(4-phenylpiperazin-1-yl)ethyl]azanium

Systemtic Name: (2-aminocarbonylphenyl)-methyl-(phenylmethyl)-[2-(4-phenylpiperazin-1-yl)ethyl]azanium Openeye Name: benzyl-(2-carbamoylphenyl)-methyl-[2-(4-phenylpiperazin-1-yl)ethyl]ammonium CAS Name: (2-carbamoylphenyl)-methyl-(phenylmethyl)-[2-(4-phenyl-1-piperazinyl)ethyl]ammonium IUPAC Name: benzyl-(2-carbamoylphenyl)-methyl-[2-(4-phenylpiperazin-1-yl)ethyl]azanium Traditional Name: benzyl-(2-carbamoylphenyl)-methyl-[2-(4-phenylpiperazino)ethyl]ammonium Formula: C27H33N4O+ MolecularWeight: 429.57712

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](CCN1CCN(CC1)C2=CC=CC=C2)(CC3=CC=CC=C3)C4=CC=CC=C4C(=O)N

Isomeric SMILES

C[N+](CCN1CCN(CC1)C2=CC=CC=C2)(CC3=CC=CC=C3)C4=CC=CC=C4C(=O)N

InChI

InChI=1S/C27H32N4O/c1-31(22-23-10-4-2-5-11-23,26-15-9-8-14-25(26)27(28)32)21-20-29-16-18-30(19-17-29)24-12-6-3-7-13-24/h2-15H,16-22H2,1H3,(H-,28,32)/p+1