[1-[(1S)-1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethyl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [1-[(1S)-1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethyl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]-4-piperidin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]piperidin-1-ium-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[(1S)-1-(4-amino-6-anilino-s-triazin-2-yl)ethyl]piperidin-1-ium-4-yl]-pyrrolidino-methanone Formula: C21H30N7O+ MolecularWeight: 396.5092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)[NH+]3CCC(CC3)C(=O)N4CCCC4

Isomeric SMILES

C[C@@H](C1=NC(=NC(=N1)NC2=CC=CC=C2)N)[NH+]3CCC(CC3)C(=O)N4CCCC4

InChI

InChI=1S/C21H29N7O/c1-15(27-13-9-16(10-14-27)19(29)28-11-5-6-12-28)18-24-20(22)26-21(25-18)23-17-7-3-2-4-8-17/h2-4,7-8,15-16H,5-6,9-14H2,1H3,(H3,22,23,24,25,26)/p+1/t15-/m0/s1