(4-methoxy-2-methyl-phenyl)-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-methoxy-2-methyl-phenyl)-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (4-methoxy-2-methyl-phenyl)-[(3S)-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]methanone CAS Name: (4-methoxy-2-methylphenyl)-[(3S)-1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (4-methoxy-2-methylphenyl)-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (4-methoxy-2-methyl-phenyl)-[(3S)-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]methanone Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)C(=O)C2CCC[NH+](C2)CC3=CC=CN3C4=CC=CC=N4

Isomeric SMILES

CC1=C(C=CC(=C1)OC)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=CN3C4=CC=CC=N4

InChI

InChI=1S/C24H27N3O2/c1-18-15-21(29-2)10-11-22(18)24(28)19-7-5-13-26(16-19)17-20-8-6-14-27(20)23-9-3-4-12-25-23/h3-4,6,8-12,14-15,19H,5,7,13,16-17H2,1-2H3/p+1/t19-/m0/s1