[4-[1-(6-ethoxy-4-methyl-quinazolin-2-yl)piperidin-4-yl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone

Systemtic Name: [4-[1-(6-ethoxy-4-methyl-quinazolin-2-yl)piperidin-4-yl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone Openeye Name: [4-[1-(6-ethoxy-4-methyl-quinazolin-2-yl)-4-piperidyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone CAS Name: [4-[1-(6-ethoxy-4-methyl-2-quinazolinyl)-4-piperidinyl]-1-piperazin-4-iumyl]-(4-methoxyphenyl)methanone IUPAC Name: [4-[1-(6-ethoxy-4-methylquinazolin-2-yl)piperidin-4-yl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone Traditional Name: [4-[1-(6-ethoxy-4-methyl-quinazolin-2-yl)-4-piperidyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone Formula: C28H36N5O3+ MolecularWeight: 490.61714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC(CC3)[NH+]4CCN(CC4)C(=O)C5=CC=C(C=C5)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC(CC3)[NH+]4CCN(CC4)C(=O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C28H35N5O3/c1-4-36-24-9-10-26-25(19-24)20(2)29-28(30-26)33-13-11-22(12-14-33)31-15-17-32(18-16-31)27(34)21-5-7-23(35-3)8-6-21/h5-10,19,22H,4,11-18H2,1-3H3/p+1