[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(4-methoxy-3,5-dimethyl-phenyl)methanone

Systemtic Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(4-methoxy-3,5-dimethyl-phenyl)methanone Openeye Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(4-methoxy-3,5-dimethyl-phenyl)methanone CAS Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-1-iumyl]-(4-methoxy-3,5-dimethylphenyl)methanone IUPAC Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone Traditional Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(4-methoxy-3,5-dimethyl-phenyl)methanone Formula: C23H28NO4+ MolecularWeight: 382.47272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)C(=O)C2CCC[NH+](C2)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)C(=O)[C@H]2CCC[NH+](C2)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C23H27NO4/c1-15-10-19(11-16(2)22(15)26-3)21(25)17-7-5-9-24(12-17)13-18-6-4-8-20-23(18)28-14-27-20/h4,6,8,10-11,17H,5,7,9,12-14H2,1-3H3/p+1/t17-/m0/s1