1-cyclopentyl-4-(5-naphthalen-2-yl-1,2,4-triazin-3-yl)-1,4-diazepan-1-ium

Systemtic Name: 1-cyclopentyl-4-(5-naphthalen-2-yl-1,2,4-triazin-3-yl)-1,4-diazepan-1-ium Openeye Name: 1-cyclopentyl-4-[5-(2-naphthyl)-1,2,4-triazin-3-yl]-1,4-diazepan-1-ium CAS Name: 1-cyclopentyl-4-[5-(2-naphthalenyl)-1,2,4-triazin-3-yl]-1,4-diazepan-1-ium IUPAC Name: 1-cyclopentyl-4-(5-naphthalen-2-yl-1,2,4-triazin-3-yl)-1,4-diazepan-1-ium Traditional Name: 1-cyclopentyl-4-[5-(2-naphthyl)-1,2,4-triazin-3-yl]-1,4-diazepan-1-ium Formula: C23H28N5+ MolecularWeight: 374.50192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCCN(CC2)C3=NC(=CN=N3)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCC(C1)[NH+]2CCCN(CC2)C3=NC(=CN=N3)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C23H27N5/c1-2-7-19-16-20(11-10-18(19)6-1)22-17-24-26-23(25-22)28-13-5-12-27(14-15-28)21-8-3-4-9-21/h1-2,6-7,10-11,16-17,21H,3-5,8-9,12-15H2/p+1