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

Systemtic Name: (phenylmethyl) N-[(2S)-1-(1H-indol-3-yl)-3-pyrrolidin-1-ium-1-yl-propan-2-yl]-N-methyl-carbamate Openeye Name: benzyl N-[(1S)-1-(1H-indol-3-ylmethyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N-methyl-carbamate CAS Name: N-[(2S)-1-(1H-indol-3-yl)-3-(1-pyrrolidin-1-iumyl)propan-2-yl]-N-methylcarbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(1H-indol-3-yl)-3-pyrrolidin-1-ium-1-ylpropan-2-yl]-N-methylcarbamate Traditional Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N-methyl-carbamic acid benzyl ester Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CNC2=CC=CC=C21)C[NH+]3CCCC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CN([C@@H](CC1=CNC2=CC=CC=C21)C[NH+]3CCCC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2/c1-26(24(28)29-18-19-9-3-2-4-10-19)21(17-27-13-7-8-14-27)15-20-16-25-23-12-6-5-11-22(20)23/h2-6,9-12,16,21,25H,7-8,13-15,17-18H2,1H3/p+1/t21-/m0/s1