6-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl]-1-piperazin-4-iumyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-[2-keto-2-[(2S)-2-methylpiperidino]ethyl]piperazin-4-ium-1-yl]nicotinonitrile Formula: C18H26N5O+ MolecularWeight: 328.43194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH+]2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C18H25N5O/c1-15-4-2-3-7-23(15)18(24)14-21-8-10-22(11-9-21)17-6-5-16(12-19)13-20-17/h5-6,13,15H,2-4,7-11,14H2,1H3/p+1/t15-/m0/s1