N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide Openeye Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide CAS Name: N-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide IUPAC Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide Traditional Name: N-[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide Formula: C19H25ClN3O+ MolecularWeight: 346.8743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C(=O)NC2CCC[NH+](C2)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=C(N1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C19H24ClN3O/c1-13-10-14(2)21-18(13)19(24)22-17-4-3-9-23(12-17)11-15-5-7-16(20)8-6-15/h5-8,10,17,21H,3-4,9,11-12H2,1-2H3,(H,22,24)/p+1/t17-/m0/s1