(3S)-N-(1,3-benzodioxol-5-yl)-1-[(1,2-dimethylindol-3-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(1,2-dimethylindol-3-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(1,2-dimethylindol-3-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(1,2-dimethyl-3-indolyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(1,2-dimethylindol-3-yl)methyl]piperidin-1-ium-3-amine Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(1,2-dimethylindol-3-yl)methyl]piperidin-1-ium-3-yl]amine Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C)C[NH+]3CCCC(C3)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C)C[NH+]3CCC[C@@H](C3)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H27N3O2/c1-16-20(19-7-3-4-8-21(19)25(16)2)14-26-11-5-6-18(13-26)24-17-9-10-22-23(12-17)28-15-27-22/h3-4,7-10,12,18,24H,5-6,11,13-15H2,1-2H3/p+1/t18-/m0/s1