1-[4-(azepan-1-ium-1-yl)piperidin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-(azepan-1-ium-1-yl)piperidin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-(azepan-1-ium-1-yl)-1-piperidyl]-3-methyl-butan-1-one CAS Name: 1-[4-(1-azepan-1-iumyl)-1-piperidinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-(azepan-1-ium-1-yl)piperidin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(azepan-1-ium-1-yl)piperidino]-3-methyl-butan-1-one Formula: C16H31N2O+ MolecularWeight: 267.43014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCC(CC1)[NH+]2CCCCCC2

Isomeric SMILES

CC(C)CC(=O)N1CCC(CC1)[NH+]2CCCCCC2

InChI

InChI=1S/C16H30N2O/c1-14(2)13-16(19)18-11-7-15(8-12-18)17-9-5-3-4-6-10-17/h14-15H,3-13H2,1-2H3/p+1