1-[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[benzyl(isopropyl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[benzyl(isopropyl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)C[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)C[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C18H27N3O2/c1-14(2)21(12-15-6-4-3-5-7-15)17(22)13-20-10-8-16(9-11-20)18(19)23/h3-7,14,16H,8-13H2,1-2H3,(H2,19,23)/p+1