ethyl 4-(cyclopropylmethyl)-1-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(cyclopropylmethyl)-1-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(cyclopropylmethyl)piperidine-4-carboxylate CAS Name: 4-(cyclopropylmethyl)-1-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(cyclopropylmethyl)piperidine-4-carboxylate Traditional Name: 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(cyclopropylmethyl)isonipecotic acid ethyl ester Formula: C23H35N2O2+ MolecularWeight: 371.5362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C2CC[NH+](C2)CC3=CC=CC=C3)CC4CC4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)[C@H]2CC[NH+](C2)CC3=CC=CC=C3)CC4CC4

InChI

InChI=1S/C23H34N2O2/c1-2-27-22(26)23(16-19-8-9-19)11-14-25(15-12-23)21-10-13-24(18-21)17-20-6-4-3-5-7-20/h3-7,19,21H,2,8-18H2,1H3/p+1/t21-/m0/s1