(3S)-N-(1,3-benzodioxol-5-yl)-1-[(3,7-dimethyl-1H-indol-2-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(3,7-dimethyl-1H-indol-2-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(3,7-dimethyl-1H-indol-2-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(3,7-dimethyl-1H-indol-2-yl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(3,7-dimethyl-1H-indol-2-yl)methyl]piperidin-1-ium-3-amine Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(3,7-dimethyl-1H-indol-2-yl)methyl]piperidin-1-ium-3-yl]amine Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=C2C)C[NH+]3CCCC(C3)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC2=C1NC(=C2C)C[NH+]3CCC[C@@H](C3)NC4=CC5=C(C=C4)OCO5

InChI

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