N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-piperidin-1-ium-1-yl-propanamide

Systemtic Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-piperidin-1-ium-1-yl-propanamide Openeye Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-piperidin-1-ium-1-yl-propanamide CAS Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(1-piperidin-1-iumyl)propanamide IUPAC Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-piperidin-1-ium-1-ylpropanamide Traditional Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-piperidin-1-ium-1-yl-propionamide Formula: C18H26N3OS+ MolecularWeight: 332.48354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CC[NH+]3CCCCC3

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CC[NH+]3CCCCC3

InChI

InChI=1S/C18H25N3OS/c1-13-5-6-14-15(12-19)18(23-16(14)11-13)20-17(22)7-10-21-8-3-2-4-9-21/h13H,2-11H2,1H3,(H,20,22)/p+1/t13-/m0/s1