methyl 1-[2-oxidanylidene-2-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]amino]ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-keto-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)NC2CC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H29N3O3/c1-26-20(25)17-7-10-22(11-8-17)15-19(24)21-18-9-12-23(14-18)13-16-5-3-2-4-6-16/h2-6,17-18H,7-15H2,1H3,(H,21,24)/p+2/t18-/m0/s1