2-[(2S)-1-(1-ethoxycarbonylpiperidin-4-yl)-5-oxidanylidene-pyrrolidin-2-yl]ethyl-(phenylmethyl)azanium

Systemtic Name: 2-[(2S)-1-(1-ethoxycarbonylpiperidin-4-yl)-5-oxidanylidene-pyrrolidin-2-yl]ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(2S)-1-(1-ethoxycarbonyl-4-piperidyl)-5-oxo-pyrrolidin-2-yl]ethyl]ammonium CAS Name: 2-[(2S)-1-(1-ethoxycarbonyl-4-piperidinyl)-5-oxo-2-pyrrolidinyl]ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[(2S)-1-(1-ethoxycarbonylpiperidin-4-yl)-5-oxopyrrolidin-2-yl]ethyl]azanium Traditional Name: benzyl-[2-[(2S)-1-(1-carbethoxy-4-piperidyl)-5-keto-pyrrolidin-2-yl]ethyl]ammonium Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C(CCC2=O)CC[NH2+]CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2[C@@H](CCC2=O)CC[NH2+]CC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O3/c1-2-27-21(26)23-14-11-19(12-15-23)24-18(8-9-20(24)25)10-13-22-16-17-6-4-3-5-7-17/h3-7,18-19,22H,2,8-16H2,1H3/p+1/t18-/m0/s1