1-[(1R)-3-methyl-1-(1-phenethyl-1,2,3,4-tetrazol-5-yl)butyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(1R)-3-methyl-1-(1-phenethyl-1,2,3,4-tetrazol-5-yl)butyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1R)-3-methyl-1-(1-phenethyltetrazol-5-yl)butyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(1R)-3-methyl-1-(1-phenethyl-5-tetrazolyl)butyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(1R)-3-methyl-1-(1-phenethyltetrazol-5-yl)butyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1R)-3-methyl-1-(1-phenethyltetrazol-5-yl)butyl]piperidin-1-ium-4-carboxamide Formula: C20H31N6O+ MolecularWeight: 371.49974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NN=NN1CCC2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CC(C)C[C@H](C1=NN=NN1CCC2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C20H30N6O/c1-15(2)14-18(25-11-9-17(10-12-25)19(21)27)20-22-23-24-26(20)13-8-16-6-4-3-5-7-16/h3-7,15,17-18H,8-14H2,1-2H3,(H2,21,27)/p+1/t18-/m1/s1