(3S)-N-(3,4-dimethoxyphenyl)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(3,4-dimethoxyphenyl)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(3,4-dimethoxyphenyl)-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(3,4-dimethoxyphenyl)-1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(3,4-dimethoxyphenyl)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine Traditional Name: (3,4-dimethoxyphenyl)-[(3S)-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]amine Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2CCC[NH+](C2)CC3=CC=CN3C4=CC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N[C@H]2CCC[NH+](C2)CC3=CC=CN3C4=CC=CC=N4)OC

InChI

InChI=1S/C23H28N4O2/c1-28-21-11-10-18(15-22(21)29-2)25-19-7-5-13-26(16-19)17-20-8-6-14-27(20)23-9-3-4-12-24-23/h3-4,6,8-12,14-15,19,25H,5,7,13,16-17H2,1-2H3/p+1/t19-/m0/s1