4,6,7-trimethyl-2-[4-[(2R)-4-pyrazol-1-ylbutan-2-yl]-1,4-diazepan-4-ium-1-yl]quinazoline

Systemtic Name: 4,6,7-trimethyl-2-[4-[(2R)-4-pyrazol-1-ylbutan-2-yl]-1,4-diazepan-4-ium-1-yl]quinazoline Openeye Name: 4,6,7-trimethyl-2-[4-[(1R)-1-methyl-3-pyrazol-1-yl-propyl]-1,4-diazepan-4-ium-1-yl]quinazoline CAS Name: 4,6,7-trimethyl-2-[4-[(2R)-4-(1-pyrazolyl)butan-2-yl]-1,4-diazepan-4-ium-1-yl]quinazoline IUPAC Name: 4,6,7-trimethyl-2-[4-[(2R)-4-pyrazol-1-ylbutan-2-yl]-1,4-diazepan-4-ium-1-yl]quinazoline Traditional Name: 4,6,7-trimethyl-2-[4-[(1R)-1-methyl-3-pyrazol-1-yl-propyl]-1,4-diazepan-4-ium-1-yl]quinazoline Formula: C23H33N6+ MolecularWeight: 393.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC[NH+](CC3)C(C)CCN4C=CC=N4)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC[NH+](CC3)[C@H](C)CCN4C=CC=N4)C)C

InChI

InChI=1S/C23H32N6/c1-17-15-21-20(4)25-23(26-22(21)16-18(17)2)28-10-6-9-27(13-14-28)19(3)7-12-29-11-5-8-24-29/h5,8,11,15-16,19H,6-7,9-10,12-14H2,1-4H3/p+1/t19-/m1/s1