1-[(1S)-1-[1-(2-methoxyethyl)-1,2,3,4-tetrazol-5-yl]-2-methyl-propyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[(1S)-1-[1-(2-methoxyethyl)-1,2,3,4-tetrazol-5-yl]-2-methyl-propyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium Openeye Name: 1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methyl-propyl]-4-(3-pyridylmethyl)piperazin-4-ium CAS Name: 1-[(1S)-1-[1-(2-methoxyethyl)-5-tetrazolyl]-2-methylpropyl]-4-(3-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium Traditional Name: 1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methyl-propyl]-4-(3-pyridylmethyl)piperazin-4-ium Formula: C18H30N7O+ MolecularWeight: 360.4771

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NN=NN1CCOC)N2CC[NH+](CC2)CC3=CN=CC=C3

Isomeric SMILES

CC(C)[C@@H](C1=NN=NN1CCOC)N2CC[NH+](CC2)CC3=CN=CC=C3

InChI

InChI=1S/C18H29N7O/c1-15(2)17(18-20-21-22-25(18)11-12-26-3)24-9-7-23(8-10-24)14-16-5-4-6-19-13-16/h4-6,13,15,17H,7-12,14H2,1-3H3/p+1/t17-/m0/s1