[(3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone

Systemtic Name: [(3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: (3-isopropoxyphenyl)-[(3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: [(3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-piperidin-1-iumyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [(3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: (3-isopropoxyphenyl)-[(3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C24H30NO5+ MolecularWeight: 412.4987

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)CC3=CC4=C(C(=C3)OC)OCO4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC4=C(C(=C3)OC)OCO4

InChI

InChI=1S/C24H29NO5/c1-16(2)30-20-8-4-6-18(12-20)23(26)19-7-5-9-25(14-19)13-17-10-21(27-3)24-22(11-17)28-15-29-24/h4,6,8,10-12,16,19H,5,7,9,13-15H2,1-3H3/p+1/t19-/m0/s1