1-[4-[3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenoxy]piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenoxy]piperidin-1-yl]ethanone Openeye Name: 1-[4-[3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenoxy]-1-piperidyl]ethanone CAS Name: 1-[4-[3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenoxy]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenoxy]piperidin-1-yl]ethanone Traditional Name: 1-[4-[3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenoxy]piperidino]ethanone Formula: C20H32N3O2+ MolecularWeight: 346.48698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)OC2=CC=CC(=C2)C[NH+]3CCCN(CC3)C

Isomeric SMILES

CC(=O)N1CCC(CC1)OC2=CC=CC(=C2)C[NH+]3CCCN(CC3)C

InChI

InChI=1S/C20H31N3O2/c1-17(24)23-11-7-19(8-12-23)25-20-6-3-5-18(15-20)16-22-10-4-9-21(2)13-14-22/h3,5-6,15,19H,4,7-14,16H2,1-2H3/p+1