(phenylmethyl) N-[(1S)-1-(1H-indol-3-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N-methyl-carbamate

Systemtic Name: (phenylmethyl) N-[(1S)-1-(1H-indol-3-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N-methyl-carbamate Openeye Name: benzyl N-[(1S)-1-(1H-indol-3-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N-methyl-carbamate CAS Name: N-[(1S)-1-(1H-indol-3-yl)-2-(1-pyrrolidin-1-iumyl)ethyl]-N-methylcarbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(1S)-1-(1H-indol-3-yl)-2-pyrrolidin-1-ium-1-ylethyl]-N-methylcarbamate Traditional Name: N-[(1S)-1-(1H-indol-3-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N-methyl-carbamic acid benzyl ester Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(C[NH+]1CCCC1)C2=CNC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CN([C@H](C[NH+]1CCCC1)C2=CNC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2/c1-25(23(27)28-17-18-9-3-2-4-10-18)22(16-26-13-7-8-14-26)20-15-24-21-12-6-5-11-19(20)21/h2-6,9-12,15,22,24H,7-8,13-14,16-17H2,1H3/p+1/t22-/m1/s1