ethyl N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]carbamate

Systemtic Name: ethyl N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]carbamate Openeye Name: ethyl N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]carbamate CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]carbamate Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]carbamic acid ethyl ester Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NCC(C1=CC=C(C=C1)N(C)C)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)NC[C@H](C1=CC=C(C=C1)N(C)C)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C23H32N4O2/c1-4-29-23(28)24-18-22(19-10-12-20(13-11-19)25(2)3)27-16-14-26(15-17-27)21-8-6-5-7-9-21/h5-13,22H,4,14-18H2,1-3H3,(H,24,28)/p+1/t22-/m1/s1