N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3,5-dimethyl-benzamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3,5-dimethyl-benzamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-3,5-dimethylbenzamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3,5-dimethylbenzamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3,5-dimethyl-benzamide Formula: C24H36N4O+2 MolecularWeight: 396.56884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N4O/c1-18-14-19(2)16-21(15-18)24(29)25-17-23(28-12-10-27(5)11-13-28)20-6-8-22(9-7-20)26(3)4/h6-9,14-16,23H,10-13,17H2,1-5H3,(H,25,29)/p+2/t23-/m1/s1