N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide

Systemtic Name: N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide CAS Name: N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-3-(3,4,5-trimethoxyphenyl)propanamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(3,4,5-trimethoxyphenyl)propionamide Formula: C23H31N2O4+ MolecularWeight: 399.50324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)NC2CC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O4/c1-27-20-13-18(14-21(28-2)23(20)29-3)9-10-22(26)24-19-11-12-25(16-19)15-17-7-5-4-6-8-17/h4-8,13-14,19H,9-12,15-16H2,1-3H3,(H,24,26)/p+1/t19-/m0/s1