N-[2-[(1-carbamimidoylpiperidin-4-yl)methylamino]-1-cyclohexyl-2-oxidanylidene-ethyl]-4-cyclohexyl-benzonitrilium

Systemtic Name: N-[2-[(1-carbamimidoylpiperidin-4-yl)methylamino]-1-cyclohexyl-2-oxidanylidene-ethyl]-4-cyclohexyl-benzonitrilium Openeye Name: N-[2-[(1-carbamimidoyl-4-piperidyl)methylamino]-1-cyclohexyl-2-oxo-ethyl]-4-cyclohexyl-benzonitrilium CAS Name: N-[2-[(1-carbamimidoyl-4-piperidinyl)methylamino]-1-cyclohexyl-2-oxoethyl]-4-cyclohexylbenzonitrilium IUPAC Name: N-[2-[(1-carbamimidoylpiperidin-4-yl)methylamino]-1-cyclohexyl-2-oxoethyl]-4-cyclohexylbenzonitrilium Traditional Name: N-[2-[(1-amidino-4-piperidyl)methylamino]-1-cyclohexyl-2-keto-ethyl]-4-cyclohexyl-benzonitrilium Formula: C28H42N5O+ MolecularWeight: 464.66598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C#[N+]C(C3CCCCC3)C(=O)NCC4CCN(CC4)C(=N)N

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C#[N+]C(C3CCCCC3)C(=O)NCC4CCN(CC4)C(=N)N

InChI

InChI=1S/C28H41N5O/c29-28(30)33-17-15-22(16-18-33)20-32-27(34)26(25-9-5-2-6-10-25)31-19-21-11-13-24(14-12-21)23-7-3-1-4-8-23/h11-14,22-23,25-26H,1-10,15-18,20H2,(H3-,29,30,32,34)/p+1