1-(1,2-benzoxazol-3-yl)-1-(2-methylindol-1-yl)piperidin-1-ium-4-one hydrochloride

Systemtic Name: 1-(1,2-benzoxazol-3-yl)-1-(2-methylindol-1-yl)piperidin-1-ium-4-one hydrochloride Openeye Name: 1-(1,2-benzoxazol-3-yl)-1-(2-methylindol-1-yl)piperidin-1-ium-4-one hydrochloride CAS Name: 1-(1,2-benzoxazol-3-yl)-1-(2-methyl-1-indolyl)-4-piperidin-1-iumone hydrochloride IUPAC Name: 1-(1,2-benzoxazol-3-yl)-1-(2-methylindol-1-yl)piperidin-1-ium-4-one hydrochloride Traditional Name: 1-indoxazen-3-yl-1-(2-methylindol-1-yl)piperidin-1-ium-4-one hydrochloride Formula: C21H21ClN3O2+ MolecularWeight: 382.86334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2N1[N+]3(CCC(=O)CC3)C4=NOC5=CC=CC=C54.Cl

Isomeric SMILES

CC1=CC2=CC=CC=C2N1[N+]3(CCC(=O)CC3)C4=NOC5=CC=CC=C54.Cl

InChI

InChI=1S/C21H20N3O2.ClH/c1-15-14-16-6-2-4-8-19(16)23(15)24(12-10-17(25)11-13-24)21-18-7-3-5-9-20(18)26-22-21;/h2-9,14H,10-13H2,1H3;1H/q+1;