3-azanyl-5-[3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]propyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Formula: C19H27N6+ MolecularWeight: 339.45788

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NCCCC2=C(C(=NN2)N)C#N)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NCCCC2=C(C(=NN2)N)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C19H26N6/c20-13-17-18(23-24-19(17)21)7-4-10-22-16-8-11-25(12-9-16)14-15-5-2-1-3-6-15/h1-3,5-6,16,22H,4,7-12,14H2,(H3,21,23,24)/p+1