N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-4-imidazol-1-yl-benzamide

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-4-imidazol-1-yl-benzamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-4-imidazol-1-yl-benzamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-4-(1-imidazolyl)benzamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-4-imidazol-1-ylbenzamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-4-imidazol-1-yl-benzamide Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CCCC(C2)NC(=O)C3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C1CCCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)C3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C22H30N4O/c27-22(18-9-11-21(12-10-18)26-15-13-23-17-26)24-19-6-5-14-25(16-19)20-7-3-1-2-4-8-20/h9-13,15,17,19-20H,1-8,14,16H2,(H,24,27)/p+1/t19-/m0/s1