(3S)-N-(1,3-benzodioxol-5-yl)-1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-1-ium-3-amine Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-(2,4-dimethoxy-3-methyl-benzyl)piperidin-1-ium-3-yl]amine Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)C[NH+]2CCCC(C2)NC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CC1=C(C=CC(=C1OC)C[NH+]2CCC[C@@H](C2)NC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C22H28N2O4/c1-15-19(25-2)8-6-16(22(15)26-3)12-24-10-4-5-18(13-24)23-17-7-9-20-21(11-17)28-14-27-20/h6-9,11,18,23H,4-5,10,12-14H2,1-3H3/p+1/t18-/m0/s1