1-oxidanidyl-1-(phenylmethyl)-4-[(3,5,6-trimethoxy-1H-inden-2-yl)methyl]piperidin-1-ium

Systemtic Name: 1-oxidanidyl-1-(phenylmethyl)-4-[(3,5,6-trimethoxy-1H-inden-2-yl)methyl]piperidin-1-ium Openeye Name: 1-benzyl-1-oxido-4-[(3,5,6-trimethoxy-1H-inden-2-yl)methyl]piperidin-1-ium CAS Name: 1-oxido-1-(phenylmethyl)-4-[(3,5,6-trimethoxy-1H-inden-2-yl)methyl]piperidin-1-ium IUPAC Name: 1-benzyl-1-oxido-4-[(3,5,6-trimethoxy-1H-inden-2-yl)methyl]piperidin-1-ium Traditional Name: 1-benzyl-1-oxido-4-[(3,5,6-trimethoxy-1H-inden-2-yl)methyl]piperidin-1-ium Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(=C2OC)CC3CC[N+](CC3)(CC4=CC=CC=C4)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(=C2OC)CC3CC[N+](CC3)(CC4=CC=CC=C4)[O-])OC

InChI

InChI=1S/C25H31NO4/c1-28-23-15-20-14-21(25(30-3)22(20)16-24(23)29-2)13-18-9-11-26(27,12-10-18)17-19-7-5-4-6-8-19/h4-8,15-16,18H,9-14,17H2,1-3H3