N-[3-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-oxidanylidene-propyl]thiophene-3-carboxamide

Systemtic Name: N-[3-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-oxidanylidene-propyl]thiophene-3-carboxamide Openeye Name: N-[3-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-oxo-propyl]thiophene-3-carboxamide CAS Name: N-[3-[[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-3-oxopropyl]-3-thiophenecarboxamide IUPAC Name: N-[3-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-3-oxopropyl]thiophene-3-carboxamide Traditional Name: N-[3-keto-3-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]propyl]thiophene-3-carboxamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)CCNC(=O)C2=CSC=C2)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CNC(=O)CCNC(=O)C2=CSC=C2)[NH+]3CCCC3

InChI

InChI=1S/C21H27N3O3S/c1-27-18-6-4-5-16(13-18)19(24-10-2-3-11-24)14-23-20(25)7-9-22-21(26)17-8-12-28-15-17/h4-6,8,12-13,15,19H,2-3,7,9-11,14H2,1H3,(H,22,26)(H,23,25)/p+1/t19-/m0/s1