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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCCC(C2)NC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC[C@@H](C2)NC3=CC4=C(C=C3)OCO4)OC

InChI

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