1-(2-piperidin-1-ium-1-ylethyl)-3-(5-thiophen-3-ylpyridin-1-ium-3-yl)indole

Systemtic Name: 1-(2-piperidin-1-ium-1-ylethyl)-3-(5-thiophen-3-ylpyridin-1-ium-3-yl)indole Openeye Name: 1-(2-piperidin-1-ium-1-ylethyl)-3-[5-(3-thienyl)pyridin-1-ium-3-yl]indole CAS Name: 1-[2-(1-piperidin-1-iumyl)ethyl]-3-[5-(3-thiophenyl)-3-pyridin-1-iumyl]indole IUPAC Name: 1-(2-piperidin-1-ium-1-ylethyl)-3-(5-thiophen-3-ylpyridin-1-ium-3-yl)indole Traditional Name: 1-(2-piperidin-1-ium-1-ylethyl)-3-[5-(3-thienyl)pyridin-1-ium-3-yl]indole Formula: C24H27N3S+2 MolecularWeight: 389.55628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C=C(C3=CC=CC=C32)C4=C[NH+]=CC(=C4)C5=CSC=C5

Isomeric SMILES

C1CC[NH+](CC1)CCN2C=C(C3=CC=CC=C32)C4=C[NH+]=CC(=C4)C5=CSC=C5

InChI

InChI=1S/C24H25N3S/c1-4-9-26(10-5-1)11-12-27-17-23(22-6-2-3-7-24(22)27)21-14-20(15-25-16-21)19-8-13-28-18-19/h2-3,6-8,13-18H,1,4-5,9-12H2/p+2