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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-3-(furan-2-yl)-4-methyl-pentyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-3-(2-furyl)-4-methyl-pentyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-3-(2-furanyl)-4-methylpentyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-3-(furan-2-yl)-4-methylpentyl]azanium Traditional Name: [(3S)-3-(2-furyl)-4-methyl-pentyl]-piperonyl-ammonium Formula: C18H24NO3+ MolecularWeight: 302.38806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC[NH2+]CC1=CC2=C(C=C1)OCO2)C3=CC=CO3

Isomeric SMILES

CC(C)[C@H](CC[NH2+]CC1=CC2=C(C=C1)OCO2)C3=CC=CO3

InChI

InChI=1S/C18H23NO3/c1-13(2)15(16-4-3-9-20-16)7-8-19-11-14-5-6-17-18(10-14)22-12-21-17/h3-6,9-10,13,15,19H,7-8,11-12H2,1-2H3/p+1/t15-/m0/s1