[6-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]amino]pyridin-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [6-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]amino]pyridin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [6-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]amino]-3-pyridyl]-pyrrolidin-1-yl-methanone CAS Name: [6-[[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]amino]-3-pyridinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [6-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]amino]pyridin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [6-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]amino]-3-pyridyl]-pyrrolidino-methanone Formula: C22H31N4OS+ MolecularWeight: 399.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC2=NC=C(C=C2)C(=O)N3CCCC3)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC2=NC=C(C=C2)C(=O)N3CCCC3)C4=CC=CS4

InChI

InChI=1S/C22H30N4OS/c1-17-8-12-25(13-9-17)19(20-5-4-14-28-20)16-24-21-7-6-18(15-23-21)22(27)26-10-2-3-11-26/h4-7,14-15,17,19H,2-3,8-13,16H2,1H3,(H,23,24)/p+1/t19-/m1/s1