methyl 1-[2-oxidanylidene-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-[4-(1-pyrrolidin-1-iumylmethyl)anilino]ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C20H31N3O3+2 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C20H29N3O3/c1-26-20(25)17-8-12-23(13-9-17)15-19(24)21-18-6-4-16(5-7-18)14-22-10-2-3-11-22/h4-7,17H,2-3,8-15H2,1H3,(H,21,24)/p+2