azepan-1-yl-[1-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[(1-phenyl-5-tetrazolyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-1-ium-4-yl]methanone Formula: C20H29N6O+ MolecularWeight: 369.48386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H28N6O/c27-20(25-12-6-1-2-7-13-25)17-10-14-24(15-11-17)16-19-21-22-23-26(19)18-8-4-3-5-9-18/h3-5,8-9,17H,1-2,6-7,10-16H2/p+1