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

Systemtic Name: (3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-phenyl-piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-phenyl-piperidin-1-ium-3-amine CAS Name: (3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-phenyl-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-phenylpiperidin-1-ium-3-amine Traditional Name: [(3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]-phenyl-amine Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+]3CCCC(C3)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3CCC[C@@H](C3)NC4=CC=CC=C4

InChI

InChI=1S/C20H24N2O3/c1-23-18-10-15(11-19-20(18)25-14-24-19)12-22-9-5-8-17(13-22)21-16-6-3-2-4-7-16/h2-4,6-7,10-11,17,21H,5,8-9,12-14H2,1H3/p+1/t17-/m0/s1