N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide Formula: C19H32N3O+ MolecularWeight: 318.47688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C(=O)NC2CCC[NH+](C2)C3CCCCCC3)C

Isomeric SMILES

CC1=CC(=C(N1)C(=O)N[C@H]2CCC[NH+](C2)C3CCCCCC3)C

InChI

InChI=1S/C19H31N3O/c1-14-12-15(2)20-18(14)19(23)21-16-8-7-11-22(13-16)17-9-5-3-4-6-10-17/h12,16-17,20H,3-11,13H2,1-2H3,(H,21,23)/p+1/t16-/m0/s1