5-[(1-phenylmethoxycarbonylpyrrolidin-1-ium-1-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: 5-[(1-phenylmethoxycarbonylpyrrolidin-1-ium-1-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: 5-[(1-benzyloxycarbonylpyrrolidin-1-ium-1-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 5-[(1-phenylmethoxycarbonyl-1-pyrrolidin-1-iumyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate IUPAC Name: 5-[(1-phenylmethoxycarbonylpyrrolidin-1-ium-1-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 5-[(1-carbobenzoxypyrrolidin-1-ium-1-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(COC2=CC=CC3=C2CCN(C3)C(=O)[O-])C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC[N+](C1)(COC2=CC=CC3=C2CCN(C3)C(=O)[O-])C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H26N2O5/c26-22(27)24-12-11-20-19(15-24)9-6-10-21(20)30-17-25(13-4-5-14-25)23(28)29-16-18-7-2-1-3-8-18/h1-3,6-10H,4-5,11-17H2