quinolin-3-ylmethyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-yl]azanium

Systemtic Name: quinolin-3-ylmethyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-yl]azanium Openeye Name: 3-quinolylmethyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]-4-piperidyl]ammonium CAS Name: 3-quinolinylmethyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]-4-piperidinyl]ammonium IUPAC Name: quinolin-3-ylmethyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-yl]azanium Traditional Name: 3-quinolylmethyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]-4-piperidyl]ammonium Formula: C23H25N6+ MolecularWeight: 385.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CC2=CC3=CC=CC=C3N=C2)C4=CC=C(C=C4)N5C=NC=N5

Isomeric SMILES

C1CN(CCC1[NH2+]CC2=CC3=CC=CC=C3N=C2)C4=CC=C(C=C4)N5C=NC=N5

InChI

InChI=1S/C23H24N6/c1-2-4-23-19(3-1)13-18(15-26-23)14-25-20-9-11-28(12-10-20)21-5-7-22(8-6-21)29-17-24-16-27-29/h1-8,13,15-17,20,25H,9-12,14H2/p+1