(6-methoxy-1,3-benzodioxol-5-yl)methyl-methyl-[(3S)-1-phenethylpiperidin-3-yl]azanium

Systemtic Name: (6-methoxy-1,3-benzodioxol-5-yl)methyl-methyl-[(3S)-1-phenethylpiperidin-3-yl]azanium Openeye Name: (6-methoxy-1,3-benzodioxol-5-yl)methyl-methyl-[(3S)-1-phenethyl-3-piperidyl]ammonium CAS Name: (6-methoxy-1,3-benzodioxol-5-yl)methyl-methyl-[(3S)-1-phenethyl-3-piperidinyl]ammonium IUPAC Name: (6-methoxy-1,3-benzodioxol-5-yl)methyl-methyl-[(3S)-1-phenethylpiperidin-3-yl]azanium Traditional Name: (6-methoxy-1,3-benzodioxol-5-yl)methyl-methyl-[(3S)-1-phenethyl-3-piperidyl]ammonium Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1OC)OCO2)C3CCCN(C3)CCC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1OC)OCO2)[C@H]3CCCN(C3)CCC4=CC=CC=C4

InChI

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