[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)methanone

Systemtic Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)methanone Openeye Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)methanone CAS Name: [4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)methanone IUPAC Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methanone Traditional Name: [4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)methanone Formula: C21H29ClN3O+ MolecularWeight: 374.92746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H28ClN3O/c1-15(2)25-16(3)12-20(17(25)4)21(26)24-10-8-23(9-11-24)14-18-6-5-7-19(22)13-18/h5-7,12-13,15H,8-11,14H2,1-4H3/p+1