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

Systemtic Name: methyl N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]carbamate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H30N4O2+2 MolecularWeight: 322.4457

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O2/c1-19(2)15-7-5-14(6-8-15)16(13-18-17(22)23-4)21-11-9-20(3)10-12-21/h5-8,16H,9-13H2,1-4H3,(H,18,22)/p+2/t16-/m1/s1