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

Systemtic Name: (3-methylthiophen-2-yl)-[(3S)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3-methyl-2-thienyl)-[(3S)-1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3-methyl-2-thiophenyl)-[(3S)-1-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-methylthiophen-2-yl)-[(3S)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3-methyl-2-thienyl)-[(3S)-1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]methanone Formula: C21H24N3OS+ MolecularWeight: 366.49976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)C2CCC[NH+](C2)CC3=CC=CN3C4=CN=CC=C4

Isomeric SMILES

CC1=C(SC=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=CN3C4=CN=CC=C4

InChI

InChI=1S/C21H23N3OS/c1-16-8-12-26-21(16)20(25)17-5-3-10-23(14-17)15-19-7-4-11-24(19)18-6-2-9-22-13-18/h2,4,6-9,11-13,17H,3,5,10,14-15H2,1H3/p+1/t17-/m0/s1