[6-(azepan-1-yl)pyridin-1-ium-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone

Systemtic Name: [6-(azepan-1-yl)pyridin-1-ium-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone Openeye Name: [6-(azepan-1-yl)pyridin-1-ium-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)-1-piperidyl]methanone CAS Name: [6-(1-azepanyl)-3-pyridin-1-iumyl]-[(3R)-3-(1-imidazolylmethyl)-1-piperidinyl]methanone IUPAC Name: [6-(azepan-1-yl)pyridin-1-ium-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone Traditional Name: [6-(azepan-1-yl)pyridin-1-ium-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)piperidino]methanone Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=[NH+]C=C(C=C2)C(=O)N3CCCC(C3)CN4C=CN=C4

Isomeric SMILES

C1CCCN(CC1)C2=[NH+]C=C(C=C2)C(=O)N3CCC[C@@H](C3)CN4C=CN=C4

InChI

InChI=1S/C21H29N5O/c27-21(26-12-5-6-18(16-26)15-24-13-9-22-17-24)19-7-8-20(23-14-19)25-10-3-1-2-4-11-25/h7-9,13-14,17-18H,1-6,10-12,15-16H2/p+1/t18-/m1/s1