8-(1-methylpiperidin-1-ium-4-yl)-4-phenethyl-2-(pyridin-2-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione

Systemtic Name: 8-(1-methylpiperidin-1-ium-4-yl)-4-phenethyl-2-(pyridin-2-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 8-(1-methylpiperidin-1-ium-4-yl)-4-phenethyl-2-(2-pyridylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 8-(1-methyl-4-piperidin-1-iumyl)-4-phenethyl-2-(2-pyridinylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 8-(1-methylpiperidin-1-ium-4-yl)-4-phenethyl-2-(pyridin-2-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 8-(1-methylpiperidin-1-ium-4-yl)-4-phenethyl-2-(2-pyridylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C27H37N5O2+2 MolecularWeight: 463.61498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCC3(CC2)C(=O)N(C(=O)N3CCC4=CC=CC=C4)CC5=CC=CC=N5

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC3(CC2)C(=O)N(C(=O)N3CCC4=CC=CC=C4)CC5=CC=CC=N5

InChI

InChI=1S/C27H35N5O2/c1-29-16-11-24(12-17-29)30-19-13-27(14-20-30)25(33)31(21-23-9-5-6-15-28-23)26(34)32(27)18-10-22-7-3-2-4-8-22/h2-9,15,24H,10-14,16-21H2,1H3/p+2