N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)OC1

InChI

InChI=1S/C22H26N2O3/c25-22(18-7-8-20-21(15-18)27-14-4-13-26-20)23-19-9-11-24(12-10-19)16-17-5-2-1-3-6-17/h1-3,5-8,15,19H,4,9-14,16H2,(H,23,25)/p+1