1,3-benzodioxol-5-ylmethyl-[(3S)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-3-(1,3-benzodioxol-5-yl)-6-methylheptyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-3-(1,3-benzodioxol-5-yl)-6-methylheptyl]azanium Traditional Name: [(3S)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-piperonyl-ammonium Formula: C23H30NO4+ MolecularWeight: 384.4886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC[NH2+]CC1=CC2=C(C=C1)OCO2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CC[C@@H](CC[NH2+]CC1=CC2=C(C=C1)OCO2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H29NO4/c1-16(2)3-5-18(19-6-8-21-23(12-19)28-15-26-21)9-10-24-13-17-4-7-20-22(11-17)27-14-25-20/h4,6-8,11-12,16,18,24H,3,5,9-10,13-15H2,1-2H3/p+1/t18-/m0/s1