[6-[[(1S)-1-cyclopropylethyl]amino]pyridin-1-ium-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone

Systemtic Name: [6-[[(1S)-1-cyclopropylethyl]amino]pyridin-1-ium-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [6-[[(1S)-1-cyclopropylethyl]amino]pyridin-1-ium-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: [6-[[(1S)-1-cyclopropylethyl]amino]-3-pyridin-1-iumyl]-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [6-[[(1S)-1-cyclopropylethyl]amino]pyridin-1-ium-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [6-[[(1S)-1-cyclopropylethyl]amino]pyridin-1-ium-3-yl]-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methanone Formula: C20H27N6O+ MolecularWeight: 367.46798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC2=[NH+]C=C(C=C2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[C@@H](C1CC1)NC2=[NH+]C=C(C=C2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H26N6O/c1-15(16-4-5-16)24-18-7-6-17(14-23-18)19(27)25-10-3-11-26(13-12-25)20-21-8-2-9-22-20/h2,6-9,14-16H,3-5,10-13H2,1H3,(H,23,24)/p+1/t15-/m0/s1