ethyl 4-[4-[(3-azanyl-6-methyl-quinazolin-3-ium-2-yl)amino]butyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(3-azanyl-6-methyl-quinazolin-3-ium-2-yl)amino]butyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(3-amino-6-methyl-quinazolin-3-ium-2-yl)amino]butyl]piperazine-1-carboxylate CAS Name: 4-[4-[(3-amino-6-methyl-2-quinazolin-3-iumyl)amino]butyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-amino-6-methylquinazolin-3-ium-2-yl)amino]butyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(3-amino-6-methyl-quinazolin-3-ium-2-yl)amino]butyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H31N6O2+ MolecularWeight: 387.49914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CCCCNC2=[N+](C=C3C=C(C=CC3=N2)C)N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CCCCNC2=[N+](C=C3C=C(C=CC3=N2)C)N

InChI

InChI=1S/C20H30N6O2/c1-3-28-20(27)25-12-10-24(11-13-25)9-5-4-8-22-19-23-18-7-6-16(2)14-17(18)15-26(19)21/h6-7,14-15H,3-5,8-13,21H2,1-2H3/p+1