phenyl N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]carbamate

Systemtic Name: phenyl N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]carbamate Openeye Name: phenyl N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]carbamate CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]carbamic acid phenyl ester IUPAC Name: phenyl N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]carbamate Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]carbamic acid phenyl ester Formula: C22H32N4O2+2 MolecularWeight: 384.51508

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(CNC(=O)OC2=CC=CC=C2)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H](CNC(=O)OC2=CC=CC=C2)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H30N4O2/c1-24(2)19-11-9-18(10-12-19)21(26-15-13-25(3)14-16-26)17-23-22(27)28-20-7-5-4-6-8-20/h4-12,21H,13-17H2,1-3H3,(H,23,27)/p+2/t21-/m1/s1