(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]amine Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CN2C3=CN=CC=C3)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CN2C3=CN=CC=C3)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H26N4O2/c1-5-20(15-24-9-1)27-11-3-6-21(27)17-26-10-2-4-19(16-26)25-18-7-8-22-23(14-18)29-13-12-28-22/h1,3,5-9,11,14-15,19,25H,2,4,10,12-13,16-17H2/p+1/t19-/m0/s1