(4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[[(3S)-thiolan-3-yl]amino]pyridin-3-yl]methanone

Systemtic Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[[(3S)-thiolan-3-yl]amino]pyridin-3-yl]methanone Openeye Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[[(3S)-tetrahydrothiophen-3-yl]amino]-3-pyridyl]methanone CAS Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[[(3S)-3-thiolanyl]amino]-3-pyridinyl]methanone IUPAC Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[[(3S)-thiolan-3-yl]amino]pyridin-3-yl]methanone Traditional Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[[(3S)-tetrahydrothiophen-3-yl]amino]-3-pyridyl]methanone Formula: C21H33N4OS+ MolecularWeight: 389.57792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCN(CC2)C(=O)C3=CN=C(C=C3)NC4CCSC4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCCN(CC2)C(=O)C3=CN=C(C=C3)N[C@H]4CCSC4

InChI

InChI=1S/C21H32N4OS/c26-21(17-7-8-20(22-15-17)23-18-9-14-27-16-18)25-11-4-10-24(12-13-25)19-5-2-1-3-6-19/h7-8,15,18-19H,1-6,9-14,16H2,(H,22,23)/p+1/t18-/m0/s1