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

Systemtic Name: 4,6,7-trimethyl-2-[4-(1-phenethylpiperidin-1-ium-4-yl)-1,4-diazepan-4-ium-1-yl]quinazoline Openeye Name: 4,6,7-trimethyl-2-[4-(1-phenethylpiperidin-1-ium-4-yl)-1,4-diazepan-4-ium-1-yl]quinazoline CAS Name: 4,6,7-trimethyl-2-[4-(1-phenethyl-4-piperidin-1-iumyl)-1,4-diazepan-4-ium-1-yl]quinazoline IUPAC Name: 4,6,7-trimethyl-2-[4-(1-phenethylpiperidin-1-ium-4-yl)-1,4-diazepan-4-ium-1-yl]quinazoline Traditional Name: 4,6,7-trimethyl-2-[4-(1-phenethylpiperidin-1-ium-4-yl)-1,4-diazepan-4-ium-1-yl]quinazoline Formula: C29H41N5+2 MolecularWeight: 459.66934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC[NH+](CC3)C4CC[NH+](CC4)CCC5=CC=CC=C5)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC[NH+](CC3)C4CC[NH+](CC4)CCC5=CC=CC=C5)C)C

InChI

InChI=1S/C29H39N5/c1-22-20-27-24(3)30-29(31-28(27)21-23(22)2)34-14-7-13-33(18-19-34)26-11-16-32(17-12-26)15-10-25-8-5-4-6-9-25/h4-6,8-9,20-21,26H,7,10-19H2,1-3H3/p+2