ethyl (3S)-1-[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H30N3O3+ MolecularWeight: 348.4598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NCC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NCC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C19H29N3O3/c1-4-25-19(24)16-6-5-11-22(13-16)14-18(23)20-12-15-7-9-17(10-8-15)21(2)3/h7-10,16H,4-6,11-14H2,1-3H3,(H,20,23)/p+1/t16-/m0/s1