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

Systemtic Name: 3,5-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrrole-2-carboxamide Openeye Name: 3,5-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrrole-2-carboxamide CAS Name: 3,5-dimethyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-1H-pyrrole-2-carboxamide IUPAC Name: 3,5-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrrole-2-carboxamide Traditional Name: 3,5-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrrole-2-carboxamide Formula: C20H28N3O+ MolecularWeight: 326.45582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(N1)C(=O)N[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3)C

InChI

InChI=1S/C20H27N3O/c1-15-13-16(2)21-19(15)20(24)22-18-9-6-11-23(14-18)12-10-17-7-4-3-5-8-17/h3-5,7-8,13,18,21H,6,9-12,14H2,1-2H3,(H,22,24)/p+1/t18-/m0/s1