[1-(naphthalen-1-ylmethyl)-1,2,3-triazol-4-yl]-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)methanone

Systemtic Name: [1-(naphthalen-1-ylmethyl)-1,2,3-triazol-4-yl]-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)methanone Openeye Name: [1-(1-naphthylmethyl)triazol-4-yl]-(4-pyrrolidin-1-ium-1-yl-1-piperidyl)methanone CAS Name: [1-(1-naphthalenylmethyl)-4-triazolyl]-[4-(1-pyrrolidin-1-iumyl)-1-piperidinyl]methanone IUPAC Name: [1-(naphthalen-1-ylmethyl)triazol-4-yl]-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)methanone Traditional Name: [1-(1-naphthylmethyl)triazol-4-yl]-(4-pyrrolidin-1-ium-1-ylpiperidino)methanone Formula: C23H28N5O+ MolecularWeight: 390.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2CCN(CC2)C(=O)C3=CN(N=N3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CC[NH+](C1)C2CCN(CC2)C(=O)C3=CN(N=N3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C23H27N5O/c29-23(27-14-10-20(11-15-27)26-12-3-4-13-26)22-17-28(25-24-22)16-19-8-5-7-18-6-1-2-9-21(18)19/h1-2,5-9,17,20H,3-4,10-16H2/p+1