[4-(azepan-1-ium-1-ylmethyl)-5-methyl-furan-2-yl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [4-(azepan-1-ium-1-ylmethyl)-5-methyl-furan-2-yl]-piperazin-4-ium-1-yl-methanone Openeye Name: [4-(azepan-1-ium-1-ylmethyl)-5-methyl-2-furyl]-piperazin-4-ium-1-yl-methanone CAS Name: [4-(1-azepan-1-iumylmethyl)-5-methyl-2-furanyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [4-(azepan-1-ium-1-ylmethyl)-5-methylfuran-2-yl]-piperazin-4-ium-1-ylmethanone Traditional Name: [4-(azepan-1-ium-1-ylmethyl)-5-methyl-2-furyl]-piperazin-4-ium-1-yl-methanone Formula: C17H29N3O2+2 MolecularWeight: 307.43106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)N2CC[NH2+]CC2)C[NH+]3CCCCCC3

Isomeric SMILES

CC1=C(C=C(O1)C(=O)N2CC[NH2+]CC2)C[NH+]3CCCCCC3

InChI

InChI=1S/C17H27N3O2/c1-14-15(13-19-8-4-2-3-5-9-19)12-16(22-14)17(21)20-10-6-18-7-11-20/h12,18H,2-11,13H2,1H3/p+2