[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone

Systemtic Name: [(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: [(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-(3-isopropoxyphenyl)methanone CAS Name: [(3S)-1-(1,4-dithiepan-6-yl)-3-piperidin-1-iumyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: [(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-(3-isopropoxyphenyl)methanone Formula: C20H30NO2S2+ MolecularWeight: 380.5877

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)C3CSCCSC3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)C3CSCCSC3

InChI

InChI=1S/C20H29NO2S2/c1-15(2)23-19-7-3-5-16(11-19)20(22)17-6-4-8-21(12-17)18-13-24-9-10-25-14-18/h3,5,7,11,15,17-18H,4,6,8-10,12-14H2,1-2H3/p+1/t17-/m0/s1