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

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-methyl-benzamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-methyl-benzamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-3-methylbenzamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-methylbenzamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-methyl-benzamide Formula: C23H34N4O+2 MolecularWeight: 382.54226

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O/c1-18-6-5-7-20(16-18)23(28)24-17-22(27-14-12-26(4)13-15-27)19-8-10-21(11-9-19)25(2)3/h5-11,16,22H,12-15,17H2,1-4H3,(H,24,28)/p+2/t22-/m1/s1