[1-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]-piperidin-1-yl-methanone

Systemtic Name: [1-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]-piperidin-1-yl-methanone Openeye Name: [1-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]triazol-4-yl]-(1-piperidyl)methanone CAS Name: [1-[1-[(3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-triazolyl]-(1-piperidinyl)methanone IUPAC Name: [1-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]triazol-4-yl]-piperidin-1-ylmethanone Traditional Name: [1-(1-m-anisylpiperidin-1-ium-4-yl)triazol-4-yl]-piperidino-methanone Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)N4CCCCC4

InChI

InChI=1S/C21H29N5O2/c1-28-19-7-5-6-17(14-19)15-24-12-8-18(9-13-24)26-16-20(22-23-26)21(27)25-10-3-2-4-11-25/h5-7,14,16,18H,2-4,8-13,15H2,1H3/p+1