N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-4-methyl-benzamide

Systemtic Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-4-methyl-benzamide Openeye Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-4-methyl-benzamide CAS Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-4-methylbenzamide IUPAC Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-4-methylbenzamide Traditional Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-4-methyl-benzamide Formula: C28H35N4O+ MolecularWeight: 443.6037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)N(C)C)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC[C@@H](C2=CC=C(C=C2)N(C)C)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C28H34N4O/c1-22-9-11-24(12-10-22)28(33)29-21-27(23-13-15-25(16-14-23)30(2)3)32-19-17-31(18-20-32)26-7-5-4-6-8-26/h4-16,27H,17-21H2,1-3H3,(H,29,33)/p+1/t27-/m0/s1