(3R)-1-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[[1-(m-tolyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[[1-(3-methylphenyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[[1-(m-tolyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C18H24N3O+ MolecularWeight: 298.40266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CC=C2C[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CC=C2C[NH+]3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C18H23N3O/c1-14-5-2-7-16(11-14)21-10-4-8-17(21)13-20-9-3-6-15(12-20)18(19)22/h2,4-5,7-8,10-11,15H,3,6,9,12-13H2,1H3,(H2,19,22)/p+1/t15-/m1/s1