[3-oxidanylidene-3-[[6-[4-(phenylmethyl)piperidin-1-yl]pyridin-1-ium-3-yl]amino]propyl]azanium

Systemtic Name: [3-oxidanylidene-3-[[6-[4-(phenylmethyl)piperidin-1-yl]pyridin-1-ium-3-yl]amino]propyl]azanium Openeye Name: [3-[[6-(4-benzyl-1-piperidyl)pyridin-1-ium-3-yl]amino]-3-oxo-propyl]ammonium CAS Name: [3-oxo-3-[[6-[4-(phenylmethyl)-1-piperidinyl]-3-pyridin-1-iumyl]amino]propyl]ammonium IUPAC Name: [3-[[6-(4-benzylpiperidin-1-yl)pyridin-1-ium-3-yl]amino]-3-oxopropyl]azanium Traditional Name: [3-[[6-(4-benzylpiperidino)pyridin-1-ium-3-yl]amino]-3-keto-propyl]ammonium Formula: C20H28N4O+2 MolecularWeight: 340.46252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=[NH+]C=C(C=C3)NC(=O)CC[NH3+]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=[NH+]C=C(C=C3)NC(=O)CC[NH3+]

InChI

InChI=1S/C20H26N4O/c21-11-8-20(25)23-18-6-7-19(22-15-18)24-12-9-17(10-13-24)14-16-4-2-1-3-5-16/h1-7,15,17H,8-14,21H2,(H,23,25)/p+2