azepan-1-yl-[(2S,4S)-1-cycloheptyl-4-(1,2,3,4-tetrazol-1-yl)pyrrolidin-1-ium-2-yl]methanone

Systemtic Name: azepan-1-yl-[(2S,4S)-1-cycloheptyl-4-(1,2,3,4-tetrazol-1-yl)pyrrolidin-1-ium-2-yl]methanone Openeye Name: azepan-1-yl-[(2S,4S)-1-cycloheptyl-4-(tetrazol-1-yl)pyrrolidin-1-ium-2-yl]methanone CAS Name: 1-azepanyl-[(2S,4S)-1-cycloheptyl-4-(1-tetrazolyl)-2-pyrrolidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[(2S,4S)-1-cycloheptyl-4-(tetrazol-1-yl)pyrrolidin-1-ium-2-yl]methanone Traditional Name: azepan-1-yl-[(2S,4S)-1-cycloheptyl-4-(tetrazol-1-yl)pyrrolidin-1-ium-2-yl]methanone Formula: C19H33N6O+ MolecularWeight: 361.50492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CC(CC2C(=O)N3CCCCCC3)N4C=NN=N4

Isomeric SMILES

C1CCCC(CC1)[NH+]2C[C@H](C[C@H]2C(=O)N3CCCCCC3)N4C=NN=N4

InChI

InChI=1S/C19H32N6O/c26-19(23-11-7-3-4-8-12-23)18-13-17(25-15-20-21-22-25)14-24(18)16-9-5-1-2-6-10-16/h15-18H,1-14H2/p+1/t17-,18-/m0/s1