[(4S)-4-(1,3-benzodioxol-5-yloxy)-4-(4-methylphenyl)butyl]azanium

Systemtic Name: [(4S)-4-(1,3-benzodioxol-5-yloxy)-4-(4-methylphenyl)butyl]azanium Openeye Name: [(4S)-4-(1,3-benzodioxol-5-yloxy)-4-(p-tolyl)butyl]ammonium CAS Name: [(4S)-4-(1,3-benzodioxol-5-yloxy)-4-(4-methylphenyl)butyl]ammonium IUPAC Name: [(4S)-4-(1,3-benzodioxol-5-yloxy)-4-(4-methylphenyl)butyl]azanium Traditional Name: [(4S)-4-(1,3-benzodioxol-5-yloxy)-4-(p-tolyl)butyl]ammonium Formula: C18H22NO3+ MolecularWeight: 300.37218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CCC[NH3+])OC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CCC[NH3+])OC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H21NO3/c1-13-4-6-14(7-5-13)16(3-2-10-19)22-15-8-9-17-18(11-15)21-12-20-17/h4-9,11,16H,2-3,10,12,19H2,1H3/p+1/t16-/m0/s1