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

Systemtic Name: [(3S)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-(3-methoxypropyl)azanium Openeye Name: [(3S)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-(3-methoxypropyl)ammonium CAS Name: [(3S)-3-(1,3-benzodioxol-5-yl)-6-methylheptyl]-(3-methoxypropyl)ammonium IUPAC Name: [(3S)-3-(1,3-benzodioxol-5-yl)-6-methylheptyl]-(3-methoxypropyl)azanium Traditional Name: [(3S)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-(3-methoxypropyl)ammonium Formula: C19H32NO3+ MolecularWeight: 322.46228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC[NH2+]CCCOC)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)CC[C@@H](CC[NH2+]CCCOC)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C19H31NO3/c1-15(2)5-6-16(9-11-20-10-4-12-21-3)17-7-8-18-19(13-17)23-14-22-18/h7-8,13,15-16,20H,4-6,9-12,14H2,1-3H3/p+1/t16-/m0/s1