1,3-benzodioxol-5-ylmethyl-[(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-3-(4-isopropoxyphenyl)-4-methyl-pentyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]azanium Traditional Name: [(3S)-3-(4-isopropoxyphenyl)-4-methyl-pentyl]-piperonyl-ammonium Formula: C23H32NO3+ MolecularWeight: 370.50508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO3/c1-16(2)21(19-6-8-20(9-7-19)27-17(3)4)11-12-24-14-18-5-10-22-23(13-18)26-15-25-22/h5-10,13,16-17,21,24H,11-12,14-15H2,1-4H3/p+1/t21-/m0/s1