[6-(azepan-1-yl)pyridin-1-ium-3-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

Systemtic Name: [6-(azepan-1-yl)pyridin-1-ium-3-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone Openeye Name: [6-(azepan-1-yl)pyridin-1-ium-3-yl]-[4-(2-pyrazol-1-ylethyl)-1-piperidyl]methanone CAS Name: [6-(1-azepanyl)-3-pyridin-1-iumyl]-[4-[2-(1-pyrazolyl)ethyl]-1-piperidinyl]methanone IUPAC Name: [6-(azepan-1-yl)pyridin-1-ium-3-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone Traditional Name: [6-(azepan-1-yl)pyridin-1-ium-3-yl]-[4-(2-pyrazol-1-ylethyl)piperidino]methanone Formula: C22H32N5O+ MolecularWeight: 382.52238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=[NH+]C=C(C=C2)C(=O)N3CCC(CC3)CCN4C=CC=N4

Isomeric SMILES

C1CCCN(CC1)C2=[NH+]C=C(C=C2)C(=O)N3CCC(CC3)CCN4C=CC=N4

InChI

InChI=1S/C22H31N5O/c28-22(20-6-7-21(23-18-20)25-12-3-1-2-4-13-25)26-15-8-19(9-16-26)10-17-27-14-5-11-24-27/h5-7,11,14,18-19H,1-4,8-10,12-13,15-17H2/p+1