1-[4-(azepan-1-yl)piperidin-1-yl]-3-methyl-butan-1-one; ethanedioic acid

Systemtic Name: 1-[4-(azepan-1-yl)piperidin-1-yl]-3-methyl-butan-1-one; ethanedioic acid Openeye Name: 1-[4-(azepan-1-yl)-1-piperidyl]-3-methyl-butan-1-one; oxalic acid CAS Name: 1-[4-(1-azepanyl)-1-piperidinyl]-3-methyl-1-butanone; oxalic acid IUPAC Name: 1-[4-(azepan-1-yl)piperidin-1-yl]-3-methylbutan-1-one; oxalic acid Traditional Name: 1-[4-(azepan-1-yl)piperidino]-3-methyl-butan-1-one; oxalic acid Formula: C18H32N2O5 MolecularWeight: 356.45708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCC(CC1)N2CCCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CC(=O)N1CCC(CC1)N2CCCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H30N2O.C2H2O4/c1-14(2)13-16(19)18-11-7-15(8-12-18)17-9-5-3-4-6-10-17;3-1(4)2(5)6/h14-15H,3-13H2,1-2H3;(H,3,4)(H,5,6)