2-(piperidin-1-ium-1-ylmethyl)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 2-(piperidin-1-ium-1-ylmethyl)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-(piperidin-1-ium-1-ylmethyl)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(1-piperidin-1-iumylmethyl)-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-(piperidin-1-ium-1-ylmethyl)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(piperidin-1-ium-1-ylmethyl)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C23H30N3O+ MolecularWeight: 364.5038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4)C[NH+]5CCCCC5

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4)C[NH+]5CCCCC5

InChI

InChI=1S/C23H29N3O/c27-22-20-21(24-19(25-22)16-26-13-7-2-8-14-26)18-10-4-3-9-17(18)15-23(20)11-5-1-6-12-23/h3-4,9-10H,1-2,5-8,11-16H2,(H,24,25,27)/p+1