ethyl-[N-ethyl-N-(4-imidazol-1-ylphenyl)carbonyl-carbamimidoyl]-methyl-piperidin-4-yl-azanium

Systemtic Name: ethyl-[N-ethyl-N-(4-imidazol-1-ylphenyl)carbonyl-carbamimidoyl]-methyl-piperidin-4-yl-azanium Openeye Name: ethyl-[N-ethyl-N-(4-imidazol-1-ylbenzoyl)carbamimidoyl]-methyl-(4-piperidyl)ammonium CAS Name: ethyl-[[ethyl-[[4-(1-imidazolyl)phenyl]-oxomethyl]amino]-iminomethyl]-methyl-(4-piperidinyl)ammonium IUPAC Name: ethyl-[N-ethyl-N-(4-imidazol-1-ylbenzoyl)carbamimidoyl]-methyl-piperidin-4-ylazanium Traditional Name: ethyl-[N-ethyl-N-(4-imidazol-1-ylbenzoyl)amidino]-methyl-(4-piperidyl)ammonium Formula: C21H31N6O+ MolecularWeight: 383.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C1=CC=C(C=C1)N2C=CN=C2)C(=N)[N+](C)(CC)C3CCNCC3

Isomeric SMILES

CCN(C(=O)C1=CC=C(C=C1)N2C=CN=C2)C(=N)[N+](C)(CC)C3CCNCC3

InChI

InChI=1S/C21H31N6O/c1-4-26(21(22)27(3,5-2)19-10-12-23-13-11-19)20(28)17-6-8-18(9-7-17)25-15-14-24-16-25/h6-9,14-16,19,22-23H,4-5,10-13H2,1-3H3/q+1