(3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methyl-N-phenethyl-piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methyl-N-phenethyl-piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methyl-N-phenethyl-piperidin-1-ium-3-amine CAS Name: (3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methyl-N-phenethyl-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methyl-N-phenethylpiperidin-1-ium-3-amine Traditional Name: [(3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]-methyl-phenethyl-amine Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2CCC[NH+](C2)CC3=CC4=C(C(=C3)OC)OCO4

Isomeric SMILES

CN(CCC1=CC=CC=C1)[C@H]2CCC[NH+](C2)CC3=CC4=C(C(=C3)OC)OCO4

InChI

InChI=1S/C23H30N2O3/c1-24(12-10-18-7-4-3-5-8-18)20-9-6-11-25(16-20)15-19-13-21(26-2)23-22(14-19)27-17-28-23/h3-5,7-8,13-14,20H,6,9-12,15-17H2,1-2H3/p+1/t20-/m0/s1