2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]-5,6,7,8-tetrahydro-1H-quinazolin-4-one

Systemtic Name: 2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]-5,6,7,8-tetrahydro-1H-quinazolin-4-one Openeye Name: 2-[(1-benzylpiperidin-1-ium-4-yl)amino]-5,6,7,8-tetrahydro-1H-quinazolin-4-one CAS Name: 2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]-5,6,7,8-tetrahydro-1H-quinazolin-4-one IUPAC Name: 2-[(1-benzylpiperidin-1-ium-4-yl)amino]-5,6,7,8-tetrahydro-1H-quinazolin-4-one Traditional Name: 2-[(1-benzylpiperidin-1-ium-4-yl)amino]-5,6,7,8-tetrahydro-1H-quinazolin-4-one Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)N=C(N2)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=O)N=C(N2)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H26N4O/c25-19-17-8-4-5-9-18(17)22-20(23-19)21-16-10-12-24(13-11-16)14-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H2,21,22,23,25)/p+1