4-[4-(phenylmethyl)piperidin-1-yl]pyridin-1-ium-3-amine

Systemtic Name: 4-[4-(phenylmethyl)piperidin-1-yl]pyridin-1-ium-3-amine Openeye Name: 4-(4-benzyl-1-piperidyl)pyridin-1-ium-3-amine CAS Name: 4-[4-(phenylmethyl)-1-piperidinyl]-3-pyridin-1-iumamine IUPAC Name: 4-(4-benzylpiperidin-1-yl)pyridin-1-ium-3-amine Traditional Name: [4-(4-benzylpiperidino)pyridin-1-ium-3-yl]amine Formula: C17H22N3+ MolecularWeight: 268.37668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=[NH+]C=C3)N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=[NH+]C=C3)N

InChI

InChI=1S/C17H21N3/c18-16-13-19-9-6-17(16)20-10-7-15(8-11-20)12-14-4-2-1-3-5-14/h1-6,9,13,15H,7-8,10-12,18H2/p+1