1,3-benzodioxol-5-ylmethyl-[(3R)-3-(4-methoxyphenyl)-6-methyl-heptyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-3-(4-methoxyphenyl)-6-methyl-heptyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-3-(4-methoxyphenyl)-6-methyl-heptyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-3-(4-methoxyphenyl)-6-methylheptyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-3-(4-methoxyphenyl)-6-methylheptyl]azanium Traditional Name: [(3R)-3-(4-methoxyphenyl)-6-methyl-heptyl]-piperonyl-ammonium Formula: C23H32NO3+ MolecularWeight: 370.50508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC[NH2+]CC1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CC[C@H](CC[NH2+]CC1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H31NO3/c1-17(2)4-6-20(19-7-9-21(25-3)10-8-19)12-13-24-15-18-5-11-22-23(14-18)27-16-26-22/h5,7-11,14,17,20,24H,4,6,12-13,15-16H2,1-3H3/p+1/t20-/m1/s1