N-(3-chlorophenyl)-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3-chlorophenyl)-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-[2-(2,5-dimethyl-1-pyrrolyl)ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-chlorophenyl)-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-carboxamide Formula: C19H26ClN4O+ MolecularWeight: 361.88894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CC[NH+]2CCN(CC2)C(=O)NC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CC1=CC=C(N1CC[NH+]2CCN(CC2)C(=O)NC3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C19H25ClN4O/c1-15-6-7-16(2)24(15)13-10-22-8-11-23(12-9-22)19(25)21-18-5-3-4-17(20)14-18/h3-7,14H,8-13H2,1-2H3,(H,21,25)/p+1