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

Systemtic Name: [6-[(2S)-2-ethylpiperidin-1-yl]pyridin-1-ium-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [6-[(2S)-2-ethyl-1-piperidyl]pyridin-1-ium-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: [6-[(2S)-2-ethyl-1-piperidinyl]-3-pyridin-1-iumyl]-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [6-[(2S)-2-ethylpiperidin-1-yl]pyridin-1-ium-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [6-[(2S)-2-ethylpiperidino]pyridin-1-ium-3-yl]-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methanone Formula: C22H31N6O+ MolecularWeight: 395.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=[NH+]C=C(C=C2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC[C@H]1CCCCN1C2=[NH+]C=C(C=C2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H30N6O/c1-2-19-7-3-4-14-28(19)20-9-8-18(17-25-20)21(29)26-12-6-13-27(16-15-26)22-23-10-5-11-24-22/h5,8-11,17,19H,2-4,6-7,12-16H2,1H3/p+1/t19-/m0/s1